Banca de DEFESA: ADRIELLE FIRMINO DA SILVA NUNES

Uma banca de DEFESA de MESTRADO foi cadastrada pelo programa.
STUDENT : ADRIELLE FIRMINO DA SILVA NUNES
DATE: 20/06/2023
TIME: 14:00
LOCAL: SALA DA PÓS-GRADUAÇÃO DO IQB
TITLE:

PLANNING AND SYNTHESIS OF CINMAMIDES FOR EVALUATION OF LARVICIDAL ACTIVITY  AGAINST THE VECTOR Aedes aegypti

KEY WORDS:

Aedes aegypti; cinnamamides; in silico studies; organic synthesis.

PAGES: 110
BIG AREA: Ciências Exatas e da Terra
AREA: Química
SUMMARY:

Aedes aegypti is a vector that has caused great concern in society in recent years, due to the spread of arbovirus epidemics caused by it. Currently, its population control has been occurring through the application of insecticides, which, however, have not been effective due to generalized resistance among populations of this vector. Therefore, the present study aimed at the in silico design and synthesis of cinnamamides. For this approach, the target fishing method was used, followed by a virtual screening, later the compounds were synthesized via the Steglich reaction and properly characterized using the 1H NMR, DEPTQ, and FTIR techniques. Regarding the in silico study, the results were validated and demonstrated that this chemotherapeutic can be a good candidate for larvicide, as it presents a structure that is within the norms foreseen for a selective and environmentally safe insecticide. In addition, they showed a pronounced affinity for chitinase (O17411), 3-hydroxykynurenine transaminase (6MFB), and acetylcholinesterase (Q6A2E2) present in the vector larvae. Concerning the synthesis, the synthesized molecules presented yields between 47-72%. Regarding larvicidal activity, two compounds from the chemotheque were active, namely (AF09) and (AF15), three partially active compounds (AF07, AF17, and AF18), a weakly active compound (AF08), and five inactive compounds. In a structure-activity relationship study, it was found that the highlighted pharmacokinetic properties, the number of rotating bonds, and the partition coefficient were crucial for larvicidal activity. Morphologically, the larvae exposed to the most active compound, AF09, showed a mass reduction, midgut deformity, and also deformations
in the siphon region and anal papillae. Which assumes that the biological targets that may be involved are digestive enzymes. However, enzymatic inhibition studies are essential to elucidate the mechanism of action. Furthermore, a quantitative study needs to be carried out to determine the LC50 of the active compounds, followed by an ecotoxicity test to assess the degree of toxicity

BANKING MEMBERS:
Interno(a) - 1121343 - ANA MARIA QUEIJEIRO LOPEZ
Externo(a) ao Programa - 776.707.014-04 - CENIRA MONTEIRO DE CARVALHO - UFAL
Presidente - 2089941 - DIMAS JOSE DA PAZ LIMA
Interno(a) - 1006306 - JADRIANE DE ALMEIDA XAVIER
Externo(a) à Instituição - Verônica Diniz da Silva